Table 9. Interaction Index for the Active Compounds—Lanosterol 14α-Demethylase Enzyme Complex.

compound	ligand moiety	residue	interaction type, count
4b	thiazole ring	Tyr118	1 π–π stacking
	H7 of the quinoline ring	Gly303	1 ar H-bond
	H2 of the phenyl ring	Ser378	1 ar H-bond
	quinoline ring	HEM601	2 π–π stackings
4f	thiazole ring	Tyr118	1 π–π stacking
	N1 of hydrazone	Tyr132	1 H-bond
	H3 of the phenyl ring	Ser378	1 ar H-bond
	quinoline ring	HEM601	2 π–π stackings
4h	thiazole ring	Tyr118	1 π–π stacking
	N1 of hydrazone	Tyr132	1 H-bond
	Cl of the phenyl ring	Ser378	1 halogen bond
	quinoline ring	HEM601	2 π–π stackings
4j	thiazole ring	Tyr118	1 π–π stacking
	N1 of hydrazone	Tyr132	1 H-bond
	H2 of the phenyl ring	Ser378	1 ar H-bond
	quinoline ring	HEM601	2 π–π stackings
4l	thiazole ring	Tyr118	1 π–π stacking
	N1 of hydrazone	Tyr132	1 H-bond
	H3 of the phenyl ring	Ser378	1 ar H-bond
	quinoline ring	HEM601	2 π–π stackings
4m	thiazole ring	Tyr118	1 π–π stackings
	H2 of the naphthalene ring	Tyr118	1 ar-H-bond
	N1 of hydrazone	Tyr132	1 H-bond
	Naphthalene ring	Phe233	2 π–π stackings
	H7 of the quinoline ring	Gly303	1 ar H-bond
	H7 of the naphthalene ring	Met508	1 ar H-bond
	quinoline ring	HEM601	3 π–π stackings
4e	phenyl ring	Tyr64	1 π–π stacking
	phenyl ring	His377	1 π–π stacking
	thiazole ring	His377	1 π–π stacking
	H2 of the phenyl ring	Ty505	1 ar H-bond
	H5 of the thiazole ring	Ser507	1 ar H-bond
4i	phenyl ring	His377	1 1 π–π stacking
	thiazole ring	His377	1 π–π stacking
	H5 of the thiazole ring	Ser507	1 ar H-bond
4k	phenyl ring	His377	1 1 π–π stacking
	thiazole ring	His377	1 π–π stacking
	N1 of hydrazone	Ser378	1 ar H-bond
	H5 of the thiazole ring	Ser507	1 ar H-bond